USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.17) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= -0.0783 (180deg=-0.541) USER MOD Single : A 24 ASN : amide:sc= -0.0559 K(o=-0.056,f=-1.9!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 30 HIS : no HE2:sc= -0.344 K(o=-0.34,f=-1.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= -0.177 (180deg=-0.869) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.0466 (180deg=-0.488) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -5.39! C(o=-5.4!,f=-12!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 53.542 7.956 44.485 1.00 0.00 N ATOM 2 CA GLY A 1 52.231 8.619 44.735 1.00 0.00 C ATOM 3 C GLY A 1 51.297 8.364 43.559 1.00 0.00 C ATOM 4 O GLY A 1 50.536 7.395 43.556 1.00 0.00 O ATOM 0 H1 GLY A 1 54.178 8.131 45.289 1.00 0.00 H new ATOM 0 H2 GLY A 1 53.398 6.932 44.374 1.00 0.00 H new ATOM 0 H3 GLY A 1 53.966 8.342 43.617 1.00 0.00 H new ATOM 0 HA2 GLY A 1 51.788 8.236 45.654 1.00 0.00 H new ATOM 0 HA3 GLY A 1 52.374 9.691 44.873 1.00 0.00 H new ATOM 10 N SER A 2 51.358 9.237 42.560 1.00 0.00 N ATOM 11 CA SER A 2 50.512 9.095 41.380 1.00 0.00 C ATOM 12 C SER A 2 50.803 7.779 40.666 1.00 0.00 C ATOM 13 O SER A 2 49.887 7.070 40.251 1.00 0.00 O ATOM 14 CB SER A 2 50.752 10.261 40.421 1.00 0.00 C ATOM 15 OG SER A 2 49.924 10.107 39.276 1.00 0.00 O ATOM 0 H SER A 2 51.980 10.045 42.543 1.00 0.00 H new ATOM 0 HA SER A 2 49.471 9.098 41.702 1.00 0.00 H new ATOM 0 HB2 SER A 2 50.533 11.206 40.918 1.00 0.00 H new ATOM 0 HB3 SER A 2 51.800 10.293 40.124 1.00 0.00 H new ATOM 0 HG SER A 2 50.075 10.854 38.660 1.00 0.00 H new ATOM 21 N ALA A 3 52.086 7.460 40.525 1.00 0.00 N ATOM 22 CA ALA A 3 52.488 6.226 39.860 1.00 0.00 C ATOM 23 C ALA A 3 51.946 5.012 40.607 1.00 0.00 C ATOM 24 O ALA A 3 51.503 4.040 39.995 1.00 0.00 O ATOM 25 CB ALA A 3 54.013 6.145 39.786 1.00 0.00 C ATOM 0 H ALA A 3 52.860 8.034 40.860 1.00 0.00 H new ATOM 0 HA ALA A 3 52.076 6.229 38.851 1.00 0.00 H new ATOM 0 HB1 ALA A 3 54.305 5.220 39.288 1.00 0.00 H new ATOM 0 HB2 ALA A 3 54.396 6.996 39.223 1.00 0.00 H new ATOM 0 HB3 ALA A 3 54.428 6.160 40.794 1.00 0.00 H new ATOM 31 N GLY A 4 51.985 5.074 41.935 1.00 0.00 N ATOM 32 CA GLY A 4 51.497 3.973 42.756 1.00 0.00 C ATOM 33 C GLY A 4 49.976 3.879 42.691 1.00 0.00 C ATOM 34 O GLY A 4 49.295 4.860 42.394 1.00 0.00 O ATOM 0 H GLY A 4 52.347 5.869 42.461 1.00 0.00 H new ATOM 0 HA2 GLY A 4 51.938 3.036 42.415 1.00 0.00 H new ATOM 0 HA3 GLY A 4 51.813 4.117 43.789 1.00 0.00 H new ATOM 38 N LEU A 5 49.450 2.691 42.975 1.00 0.00 N ATOM 39 CA LEU A 5 48.005 2.483 42.951 1.00 0.00 C ATOM 40 C LEU A 5 47.326 3.337 44.017 1.00 0.00 C ATOM 41 O LEU A 5 46.259 3.905 43.783 1.00 0.00 O ATOM 42 CB LEU A 5 47.671 1.004 43.192 1.00 0.00 C ATOM 43 CG LEU A 5 48.080 0.150 41.977 1.00 0.00 C ATOM 44 CD1 LEU A 5 47.956 -1.331 42.348 1.00 0.00 C ATOM 45 CD2 LEU A 5 47.169 0.457 40.768 1.00 0.00 C ATOM 0 H LEU A 5 49.996 1.865 43.222 1.00 0.00 H new ATOM 0 HA LEU A 5 47.637 2.777 41.968 1.00 0.00 H new ATOM 0 HB2 LEU A 5 48.189 0.649 44.083 1.00 0.00 H new ATOM 0 HB3 LEU A 5 46.603 0.893 43.378 1.00 0.00 H new ATOM 0 HG LEU A 5 49.109 0.385 41.704 1.00 0.00 H new ATOM 0 HD11 LEU A 5 48.243 -1.945 41.495 1.00 0.00 H new ATOM 0 HD12 LEU A 5 48.612 -1.551 43.191 1.00 0.00 H new ATOM 0 HD13 LEU A 5 46.925 -1.552 42.623 1.00 0.00 H new ATOM 0 HD21 LEU A 5 47.473 -0.155 39.919 1.00 0.00 H new ATOM 0 HD22 LEU A 5 46.134 0.232 41.026 1.00 0.00 H new ATOM 0 HD23 LEU A 5 47.257 1.511 40.505 1.00 0.00 H new ATOM 57 N GLN A 6 47.955 3.432 45.184 1.00 0.00 N ATOM 58 CA GLN A 6 47.417 4.220 46.271 1.00 0.00 C ATOM 59 C GLN A 6 45.942 3.899 46.490 1.00 0.00 C ATOM 60 O GLN A 6 45.125 4.797 46.689 1.00 0.00 O ATOM 61 CB GLN A 6 47.586 5.699 45.954 1.00 0.00 C ATOM 62 CG GLN A 6 49.062 6.010 45.682 1.00 0.00 C ATOM 63 CD GLN A 6 49.908 5.678 46.906 1.00 0.00 C ATOM 64 OE1 GLN A 6 50.791 4.823 46.839 1.00 0.00 O ATOM 65 NE2 GLN A 6 49.689 6.305 48.029 1.00 0.00 N ATOM 0 H GLN A 6 48.839 2.969 45.395 1.00 0.00 H new ATOM 0 HA GLN A 6 47.959 3.978 47.185 1.00 0.00 H new ATOM 0 HB2 GLN A 6 46.984 5.965 45.085 1.00 0.00 H new ATOM 0 HB3 GLN A 6 47.226 6.302 46.788 1.00 0.00 H new ATOM 0 HG2 GLN A 6 49.410 5.434 44.824 1.00 0.00 H new ATOM 0 HG3 GLN A 6 49.178 7.063 45.427 1.00 0.00 H new ATOM 0 HE21 GLN A 6 48.957 7.013 48.083 1.00 0.00 H new ATOM 0 HE22 GLN A 6 50.250 6.087 48.853 1.00 0.00 H new ATOM 74 N GLU A 7 45.609 2.613 46.450 1.00 0.00 N ATOM 75 CA GLU A 7 44.229 2.184 46.646 1.00 0.00 C ATOM 76 C GLU A 7 43.755 2.536 48.053 1.00 0.00 C ATOM 77 O GLU A 7 44.449 2.275 49.034 1.00 0.00 O ATOM 78 CB GLU A 7 44.118 0.672 46.426 1.00 0.00 C ATOM 79 CG GLU A 7 42.652 0.241 46.534 1.00 0.00 C ATOM 80 CD GLU A 7 42.528 -1.252 46.256 1.00 0.00 C ATOM 81 OE1 GLU A 7 43.546 -1.875 46.003 1.00 0.00 O ATOM 82 OE2 GLU A 7 41.415 -1.752 46.299 1.00 0.00 O1- ATOM 0 H GLU A 7 46.271 1.854 46.285 1.00 0.00 H new ATOM 0 HA GLU A 7 43.598 2.702 45.924 1.00 0.00 H new ATOM 0 HB2 GLU A 7 44.514 0.407 45.445 1.00 0.00 H new ATOM 0 HB3 GLU A 7 44.718 0.142 47.165 1.00 0.00 H new ATOM 0 HG2 GLU A 7 42.270 0.467 47.529 1.00 0.00 H new ATOM 0 HG3 GLU A 7 42.045 0.803 45.824 1.00 0.00 H new ATOM 89 N LYS A 8 42.566 3.130 48.142 1.00 0.00 N ATOM 90 CA LYS A 8 41.991 3.521 49.433 1.00 0.00 C ATOM 91 C LYS A 8 40.566 2.992 49.563 1.00 0.00 C ATOM 92 O LYS A 8 39.840 2.884 48.575 1.00 0.00 O ATOM 93 CB LYS A 8 41.983 5.044 49.558 1.00 0.00 C ATOM 94 CG LYS A 8 43.420 5.565 49.571 1.00 0.00 C ATOM 95 CD LYS A 8 43.412 7.090 49.699 1.00 0.00 C ATOM 96 CE LYS A 8 44.851 7.610 49.710 1.00 0.00 C ATOM 97 NZ LYS A 8 44.841 9.095 49.827 1.00 0.00 N1+ ATOM 0 H LYS A 8 41.980 3.352 47.337 1.00 0.00 H new ATOM 0 HA LYS A 8 42.601 3.094 50.229 1.00 0.00 H new ATOM 0 HB2 LYS A 8 41.433 5.484 48.726 1.00 0.00 H new ATOM 0 HB3 LYS A 8 41.469 5.341 50.472 1.00 0.00 H new ATOM 0 HG2 LYS A 8 43.970 5.123 50.402 1.00 0.00 H new ATOM 0 HG3 LYS A 8 43.933 5.269 48.656 1.00 0.00 H new ATOM 0 HD2 LYS A 8 42.861 7.532 48.869 1.00 0.00 H new ATOM 0 HD3 LYS A 8 42.900 7.386 50.615 1.00 0.00 H new ATOM 0 HE2 LYS A 8 45.401 7.172 50.543 1.00 0.00 H new ATOM 0 HE3 LYS A 8 45.365 7.310 48.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 45.819 9.449 49.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 44.331 9.504 49.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 44.366 9.370 50.710 1.00 0.00 H new ATOM 111 N GLU A 9 40.170 2.670 50.791 1.00 0.00 N ATOM 112 CA GLU A 9 38.824 2.161 51.038 1.00 0.00 C ATOM 113 C GLU A 9 37.778 3.214 50.691 1.00 0.00 C ATOM 114 O GLU A 9 36.726 2.900 50.136 1.00 0.00 O ATOM 115 CB GLU A 9 38.669 1.744 52.504 1.00 0.00 C ATOM 116 CG GLU A 9 39.467 0.463 52.772 1.00 0.00 C ATOM 117 CD GLU A 9 39.479 0.161 54.267 1.00 0.00 C ATOM 118 OE1 GLU A 9 39.118 1.039 55.031 1.00 0.00 O ATOM 119 OE2 GLU A 9 39.849 -0.946 54.624 1.00 0.00 O1- ATOM 0 H GLU A 9 40.755 2.751 51.623 1.00 0.00 H new ATOM 0 HA GLU A 9 38.671 1.289 50.402 1.00 0.00 H new ATOM 0 HB2 GLU A 9 39.019 2.544 53.157 1.00 0.00 H new ATOM 0 HB3 GLU A 9 37.616 1.581 52.735 1.00 0.00 H new ATOM 0 HG2 GLU A 9 39.025 -0.371 52.227 1.00 0.00 H new ATOM 0 HG3 GLU A 9 40.488 0.577 52.407 1.00 0.00 H new ATOM 126 N ARG A 10 38.074 4.468 51.022 1.00 0.00 N ATOM 127 CA ARG A 10 37.153 5.561 50.742 1.00 0.00 C ATOM 128 C ARG A 10 36.935 5.707 49.239 1.00 0.00 C ATOM 129 O ARG A 10 35.820 5.962 48.785 1.00 0.00 O ATOM 130 CB ARG A 10 37.707 6.870 51.308 1.00 0.00 C ATOM 131 CG ARG A 10 37.669 6.823 52.837 1.00 0.00 C ATOM 132 CD ARG A 10 38.400 8.040 53.404 1.00 0.00 C ATOM 133 NE ARG A 10 39.823 7.959 53.103 1.00 0.00 N ATOM 134 CZ ARG A 10 40.654 8.942 53.436 1.00 0.00 C ATOM 135 NH1 ARG A 10 41.925 8.846 53.155 1.00 0.00 N1+ ATOM 136 NH2 ARG A 10 40.197 10.003 54.046 1.00 0.00 N ATOM 0 H ARG A 10 38.940 4.750 51.482 1.00 0.00 H new ATOM 0 HA ARG A 10 36.198 5.336 51.216 1.00 0.00 H new ATOM 0 HB2 ARG A 10 38.730 7.023 50.964 1.00 0.00 H new ATOM 0 HB3 ARG A 10 37.119 7.713 50.945 1.00 0.00 H new ATOM 0 HG2 ARG A 10 36.636 6.811 53.185 1.00 0.00 H new ATOM 0 HG3 ARG A 10 38.137 5.906 53.195 1.00 0.00 H new ATOM 0 HD2 ARG A 10 37.983 8.954 52.980 1.00 0.00 H new ATOM 0 HD3 ARG A 10 38.252 8.092 54.483 1.00 0.00 H new ATOM 0 HE ARG A 10 40.188 7.133 52.628 1.00 0.00 H new ATOM 0 HH11 ARG A 10 42.281 8.017 52.680 1.00 0.00 H new ATOM 0 HH12 ARG A 10 42.562 9.600 53.411 1.00 0.00 H new ATOM 0 HH21 ARG A 10 39.204 10.077 54.266 1.00 0.00 H new ATOM 0 HH22 ARG A 10 40.833 10.758 54.302 1.00 0.00 H new ATOM 150 N GLU A 11 38.008 5.544 48.472 1.00 0.00 N ATOM 151 CA GLU A 11 37.923 5.659 47.021 1.00 0.00 C ATOM 152 C GLU A 11 36.983 4.598 46.457 1.00 0.00 C ATOM 153 O GLU A 11 36.179 4.878 45.566 1.00 0.00 O ATOM 154 CB GLU A 11 39.316 5.499 46.404 1.00 0.00 C ATOM 155 CG GLU A 11 39.234 5.683 44.885 1.00 0.00 C ATOM 156 CD GLU A 11 40.630 5.597 44.276 1.00 0.00 C ATOM 157 OE1 GLU A 11 41.572 5.402 45.026 1.00 0.00 O ATOM 158 OE2 GLU A 11 40.735 5.726 43.067 1.00 0.00 O1- ATOM 0 H GLU A 11 38.940 5.333 48.828 1.00 0.00 H new ATOM 0 HA GLU A 11 37.529 6.644 46.771 1.00 0.00 H new ATOM 0 HB2 GLU A 11 40.000 6.232 46.832 1.00 0.00 H new ATOM 0 HB3 GLU A 11 39.717 4.513 46.639 1.00 0.00 H new ATOM 0 HG2 GLU A 11 38.591 4.917 44.451 1.00 0.00 H new ATOM 0 HG3 GLU A 11 38.784 6.648 44.650 1.00 0.00 H new ATOM 165 N LEU A 12 37.088 3.382 46.981 1.00 0.00 N ATOM 166 CA LEU A 12 36.243 2.286 46.521 1.00 0.00 C ATOM 167 C LEU A 12 34.776 2.590 46.804 1.00 0.00 C ATOM 168 O LEU A 12 33.903 2.302 45.985 1.00 0.00 O ATOM 169 CB LEU A 12 36.641 0.987 47.229 1.00 0.00 C ATOM 170 CG LEU A 12 38.029 0.527 46.758 1.00 0.00 C ATOM 171 CD1 LEU A 12 38.493 -0.637 47.640 1.00 0.00 C ATOM 172 CD2 LEU A 12 37.980 0.075 45.283 1.00 0.00 C ATOM 0 H LEU A 12 37.745 3.131 47.720 1.00 0.00 H new ATOM 0 HA LEU A 12 36.380 2.171 45.446 1.00 0.00 H new ATOM 0 HB2 LEU A 12 36.648 1.140 48.308 1.00 0.00 H new ATOM 0 HB3 LEU A 12 35.904 0.211 47.022 1.00 0.00 H new ATOM 0 HG LEU A 12 38.728 1.359 46.839 1.00 0.00 H new ATOM 0 HD11 LEU A 12 39.478 -0.971 47.313 1.00 0.00 H new ATOM 0 HD12 LEU A 12 38.547 -0.308 48.678 1.00 0.00 H new ATOM 0 HD13 LEU A 12 37.785 -1.461 47.557 1.00 0.00 H new ATOM 0 HD21 LEU A 12 38.973 -0.247 44.968 1.00 0.00 H new ATOM 0 HD22 LEU A 12 37.280 -0.754 45.180 1.00 0.00 H new ATOM 0 HD23 LEU A 12 37.653 0.906 44.658 1.00 0.00 H new ATOM 184 N GLU A 13 34.510 3.177 47.967 1.00 0.00 N ATOM 185 CA GLU A 13 33.141 3.520 48.341 1.00 0.00 C ATOM 186 C GLU A 13 32.565 4.554 47.380 1.00 0.00 C ATOM 187 O GLU A 13 31.396 4.481 47.001 1.00 0.00 O ATOM 188 CB GLU A 13 33.097 4.065 49.772 1.00 0.00 C ATOM 189 CG GLU A 13 33.346 2.930 50.773 1.00 0.00 C ATOM 190 CD GLU A 13 33.504 3.502 52.178 1.00 0.00 C ATOM 191 OE1 GLU A 13 33.669 4.706 52.291 1.00 0.00 O ATOM 192 OE2 GLU A 13 33.458 2.728 53.120 1.00 0.00 O1- ATOM 0 H GLU A 13 35.216 3.423 48.661 1.00 0.00 H new ATOM 0 HA GLU A 13 32.538 2.613 48.287 1.00 0.00 H new ATOM 0 HB2 GLU A 13 33.850 4.843 49.897 1.00 0.00 H new ATOM 0 HB3 GLU A 13 32.128 4.525 49.965 1.00 0.00 H new ATOM 0 HG2 GLU A 13 32.516 2.224 50.750 1.00 0.00 H new ATOM 0 HG3 GLU A 13 34.243 2.377 50.493 1.00 0.00 H new ATOM 199 N ASP A 14 33.394 5.516 46.987 1.00 0.00 N ATOM 200 CA ASP A 14 32.957 6.560 46.070 1.00 0.00 C ATOM 201 C ASP A 14 32.535 5.956 44.733 1.00 0.00 C ATOM 202 O ASP A 14 31.518 6.345 44.158 1.00 0.00 O ATOM 203 CB ASP A 14 34.089 7.564 45.843 1.00 0.00 C ATOM 204 CG ASP A 14 33.603 8.704 44.953 1.00 0.00 C ATOM 205 OD1 ASP A 14 32.502 8.601 44.439 1.00 0.00 O ATOM 206 OD2 ASP A 14 34.340 9.664 44.799 1.00 0.00 O1- ATOM 0 H ASP A 14 34.366 5.593 47.287 1.00 0.00 H new ATOM 0 HA ASP A 14 32.102 7.071 46.512 1.00 0.00 H new ATOM 0 HB2 ASP A 14 34.433 7.959 46.799 1.00 0.00 H new ATOM 0 HB3 ASP A 14 34.940 7.066 45.379 1.00 0.00 H new ATOM 211 N LEU A 15 33.325 5.005 44.246 1.00 0.00 N ATOM 212 CA LEU A 15 33.028 4.352 42.976 1.00 0.00 C ATOM 213 C LEU A 15 31.683 3.633 43.050 1.00 0.00 C ATOM 214 O LEU A 15 30.874 3.713 42.127 1.00 0.00 O ATOM 215 CB LEU A 15 34.141 3.354 42.634 1.00 0.00 C ATOM 216 CG LEU A 15 33.843 2.644 41.302 1.00 0.00 C ATOM 217 CD1 LEU A 15 33.750 3.670 40.162 1.00 0.00 C ATOM 218 CD2 LEU A 15 34.975 1.651 41.009 1.00 0.00 C ATOM 0 H LEU A 15 34.171 4.671 44.708 1.00 0.00 H new ATOM 0 HA LEU A 15 32.973 5.109 42.194 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.096 3.875 42.569 1.00 0.00 H new ATOM 0 HB3 LEU A 15 34.234 2.617 43.432 1.00 0.00 H new ATOM 0 HG LEU A 15 32.891 2.118 41.375 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.539 3.155 39.225 1.00 0.00 H new ATOM 0 HD12 LEU A 15 32.950 4.379 40.375 1.00 0.00 H new ATOM 0 HD13 LEU A 15 34.696 4.206 40.076 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.776 1.140 40.067 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.921 2.188 40.938 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.033 0.918 41.814 1.00 0.00 H new ATOM 230 N LYS A 16 31.453 2.928 44.153 1.00 0.00 N ATOM 231 CA LYS A 16 30.204 2.197 44.334 1.00 0.00 C ATOM 232 C LYS A 16 29.020 3.158 44.338 1.00 0.00 C ATOM 233 O LYS A 16 27.966 2.863 43.776 1.00 0.00 O ATOM 234 CB LYS A 16 30.237 1.422 45.657 1.00 0.00 C ATOM 235 CG LYS A 16 31.242 0.260 45.579 1.00 0.00 C ATOM 236 CD LYS A 16 30.614 -0.953 44.876 1.00 0.00 C ATOM 237 CE LYS A 16 31.577 -2.139 44.958 1.00 0.00 C ATOM 238 NZ LYS A 16 30.966 -3.320 44.284 1.00 0.00 N1+ ATOM 0 H LYS A 16 32.109 2.847 44.929 1.00 0.00 H new ATOM 0 HA LYS A 16 30.091 1.497 43.506 1.00 0.00 H new ATOM 0 HB2 LYS A 16 30.511 2.093 46.471 1.00 0.00 H new ATOM 0 HB3 LYS A 16 29.243 1.036 45.883 1.00 0.00 H new ATOM 0 HG2 LYS A 16 32.133 0.579 45.039 1.00 0.00 H new ATOM 0 HG3 LYS A 16 31.561 -0.020 46.583 1.00 0.00 H new ATOM 0 HD2 LYS A 16 29.664 -1.208 45.345 1.00 0.00 H new ATOM 0 HD3 LYS A 16 30.401 -0.714 43.834 1.00 0.00 H new ATOM 0 HE2 LYS A 16 32.525 -1.886 44.483 1.00 0.00 H new ATOM 0 HE3 LYS A 16 31.795 -2.373 46.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 31.619 -4.127 44.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 30.072 -3.565 44.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 30.780 -3.092 43.286 1.00 0.00 H new ATOM 252 N ASP A 17 29.199 4.311 44.976 1.00 0.00 N ATOM 253 CA ASP A 17 28.136 5.306 45.044 1.00 0.00 C ATOM 254 C ASP A 17 27.763 5.785 43.645 1.00 0.00 C ATOM 255 O ASP A 17 26.588 5.984 43.339 1.00 0.00 O ATOM 256 CB ASP A 17 28.589 6.497 45.891 1.00 0.00 C ATOM 257 CG ASP A 17 28.654 6.097 47.362 1.00 0.00 C ATOM 258 OD1 ASP A 17 28.130 5.046 47.693 1.00 0.00 O ATOM 259 OD2 ASP A 17 29.228 6.848 48.133 1.00 0.00 O1- ATOM 0 H ASP A 17 30.063 4.577 45.449 1.00 0.00 H new ATOM 0 HA ASP A 17 27.261 4.847 45.504 1.00 0.00 H new ATOM 0 HB2 ASP A 17 29.567 6.841 45.556 1.00 0.00 H new ATOM 0 HB3 ASP A 17 27.897 7.329 45.762 1.00 0.00 H new ATOM 264 N ALA A 18 28.773 5.966 42.800 1.00 0.00 N ATOM 265 CA ALA A 18 28.540 6.419 41.434 1.00 0.00 C ATOM 266 C ALA A 18 27.685 5.412 40.671 1.00 0.00 C ATOM 267 O ALA A 18 26.806 5.789 39.897 1.00 0.00 O ATOM 268 CB ALA A 18 29.876 6.607 40.712 1.00 0.00 C ATOM 0 H ALA A 18 29.753 5.807 43.035 1.00 0.00 H new ATOM 0 HA ALA A 18 28.010 7.371 41.473 1.00 0.00 H new ATOM 0 HB1 ALA A 18 29.694 6.946 39.692 1.00 0.00 H new ATOM 0 HB2 ALA A 18 30.473 7.350 41.240 1.00 0.00 H new ATOM 0 HB3 ALA A 18 30.414 5.659 40.689 1.00 0.00 H new ATOM 274 N GLU A 19 27.951 4.129 40.896 1.00 0.00 N ATOM 275 CA GLU A 19 27.204 3.074 40.225 1.00 0.00 C ATOM 276 C GLU A 19 25.725 3.149 40.595 1.00 0.00 C ATOM 277 O GLU A 19 24.853 2.990 39.739 1.00 0.00 O ATOM 278 CB GLU A 19 27.766 1.705 40.618 1.00 0.00 C ATOM 279 CG GLU A 19 27.023 0.600 39.863 1.00 0.00 C ATOM 280 CD GLU A 19 27.630 -0.758 40.197 1.00 0.00 C ATOM 281 OE1 GLU A 19 28.570 -0.790 40.974 1.00 0.00 O ATOM 282 OE2 GLU A 19 27.147 -1.747 39.671 1.00 0.00 O1- ATOM 0 H GLU A 19 28.674 3.797 41.534 1.00 0.00 H new ATOM 0 HA GLU A 19 27.304 3.209 39.148 1.00 0.00 H new ATOM 0 HB2 GLU A 19 28.831 1.660 40.390 1.00 0.00 H new ATOM 0 HB3 GLU A 19 27.664 1.555 41.693 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.967 0.611 40.132 1.00 0.00 H new ATOM 0 HG3 GLU A 19 27.081 0.779 38.789 1.00 0.00 H new ATOM 289 N LEU A 20 25.450 3.391 41.871 1.00 0.00 N ATOM 290 CA LEU A 20 24.073 3.482 42.340 1.00 0.00 C ATOM 291 C LEU A 20 23.348 4.624 41.633 1.00 0.00 C ATOM 292 O LEU A 20 22.213 4.468 41.185 1.00 0.00 O ATOM 293 CB LEU A 20 24.057 3.708 43.859 1.00 0.00 C ATOM 294 CG LEU A 20 22.613 3.826 44.375 1.00 0.00 C ATOM 295 CD1 LEU A 20 21.833 2.535 44.071 1.00 0.00 C ATOM 296 CD2 LEU A 20 22.648 4.059 45.889 1.00 0.00 C ATOM 0 H LEU A 20 26.156 3.527 42.594 1.00 0.00 H new ATOM 0 HA LEU A 20 23.558 2.549 42.111 1.00 0.00 H new ATOM 0 HB2 LEU A 20 24.561 2.882 44.360 1.00 0.00 H new ATOM 0 HB3 LEU A 20 24.611 4.614 44.103 1.00 0.00 H new ATOM 0 HG LEU A 20 22.117 4.660 43.878 1.00 0.00 H new ATOM 0 HD11 LEU A 20 20.812 2.631 44.441 1.00 0.00 H new ATOM 0 HD12 LEU A 20 21.814 2.366 42.994 1.00 0.00 H new ATOM 0 HD13 LEU A 20 22.319 1.692 44.562 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.629 4.145 46.268 1.00 0.00 H new ATOM 0 HD22 LEU A 20 23.146 3.220 46.375 1.00 0.00 H new ATOM 0 HD23 LEU A 20 23.193 4.978 46.103 1.00 0.00 H new ATOM 308 N LYS A 21 24.013 5.771 41.535 1.00 0.00 N ATOM 309 CA LYS A 21 23.421 6.930 40.879 1.00 0.00 C ATOM 310 C LYS A 21 23.147 6.631 39.408 1.00 0.00 C ATOM 311 O LYS A 21 22.119 7.035 38.865 1.00 0.00 O ATOM 312 CB LYS A 21 24.362 8.132 40.989 1.00 0.00 C ATOM 313 CG LYS A 21 24.414 8.608 42.443 1.00 0.00 C ATOM 314 CD LYS A 21 25.354 9.808 42.556 1.00 0.00 C ATOM 315 CE LYS A 21 25.423 10.270 44.011 1.00 0.00 C ATOM 316 NZ LYS A 21 24.074 10.726 44.453 1.00 0.00 N1+ ATOM 0 H LYS A 21 24.954 5.922 41.898 1.00 0.00 H new ATOM 0 HA LYS A 21 22.478 7.161 41.374 1.00 0.00 H new ATOM 0 HB2 LYS A 21 25.361 7.858 40.649 1.00 0.00 H new ATOM 0 HB3 LYS A 21 24.016 8.939 40.343 1.00 0.00 H new ATOM 0 HG2 LYS A 21 23.415 8.882 42.782 1.00 0.00 H new ATOM 0 HG3 LYS A 21 24.759 7.801 43.089 1.00 0.00 H new ATOM 0 HD2 LYS A 21 26.349 9.538 42.202 1.00 0.00 H new ATOM 0 HD3 LYS A 21 25.000 10.621 41.922 1.00 0.00 H new ATOM 0 HE2 LYS A 21 25.769 9.455 44.646 1.00 0.00 H new ATOM 0 HE3 LYS A 21 26.144 11.081 44.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 24.171 11.339 45.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.618 11.257 43.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 23.491 9.900 44.696 1.00 0.00 H new ATOM 330 N ARG A 22 24.072 5.921 38.772 1.00 0.00 N ATOM 331 CA ARG A 22 23.920 5.571 37.364 1.00 0.00 C ATOM 332 C ARG A 22 22.668 4.725 37.157 1.00 0.00 C ATOM 333 O ARG A 22 21.904 4.949 36.218 1.00 0.00 O ATOM 334 CB ARG A 22 25.151 4.799 36.882 1.00 0.00 C ATOM 335 CG ARG A 22 25.005 4.472 35.394 1.00 0.00 C ATOM 336 CD ARG A 22 26.291 3.819 34.887 1.00 0.00 C ATOM 337 NE ARG A 22 26.150 3.452 33.481 1.00 0.00 N ATOM 338 CZ ARG A 22 26.318 4.349 32.515 1.00 0.00 C ATOM 339 NH1 ARG A 22 26.186 3.997 31.265 1.00 0.00 N1+ ATOM 340 NH2 ARG A 22 26.615 5.585 32.815 1.00 0.00 N ATOM 0 H ARG A 22 24.930 5.578 39.205 1.00 0.00 H new ATOM 0 HA ARG A 22 23.822 6.490 36.786 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.051 5.391 37.047 1.00 0.00 H new ATOM 0 HB3 ARG A 22 25.264 3.880 37.457 1.00 0.00 H new ATOM 0 HG2 ARG A 22 24.159 3.802 35.239 1.00 0.00 H new ATOM 0 HG3 ARG A 22 24.799 5.381 34.829 1.00 0.00 H new ATOM 0 HD2 ARG A 22 27.129 4.506 35.009 1.00 0.00 H new ATOM 0 HD3 ARG A 22 26.516 2.933 35.481 1.00 0.00 H new ATOM 0 HE ARG A 22 25.918 2.489 33.236 1.00 0.00 H new ATOM 0 HH11 ARG A 22 25.954 3.032 31.029 1.00 0.00 H new ATOM 0 HH12 ARG A 22 26.315 4.687 30.525 1.00 0.00 H new ATOM 0 HH21 ARG A 22 26.718 5.862 33.791 1.00 0.00 H new ATOM 0 HH22 ARG A 22 26.744 6.273 32.073 1.00 0.00 H new ATOM 354 N LEU A 23 22.464 3.755 38.041 1.00 0.00 N ATOM 355 CA LEU A 23 21.300 2.878 37.949 1.00 0.00 C ATOM 356 C LEU A 23 20.013 3.681 38.116 1.00 0.00 C ATOM 357 O LEU A 23 19.016 3.423 37.439 1.00 0.00 O ATOM 358 CB LEU A 23 21.372 1.800 39.034 1.00 0.00 C ATOM 359 CG LEU A 23 22.522 0.824 38.739 1.00 0.00 C ATOM 360 CD1 LEU A 23 22.712 -0.101 39.945 1.00 0.00 C ATOM 361 CD2 LEU A 23 22.210 -0.019 37.482 1.00 0.00 C ATOM 0 H LEU A 23 23.085 3.556 38.826 1.00 0.00 H new ATOM 0 HA LEU A 23 21.299 2.407 36.966 1.00 0.00 H new ATOM 0 HB2 LEU A 23 21.521 2.265 40.009 1.00 0.00 H new ATOM 0 HB3 LEU A 23 20.428 1.257 39.080 1.00 0.00 H new ATOM 0 HG LEU A 23 23.434 1.392 38.556 1.00 0.00 H new ATOM 0 HD11 LEU A 23 23.526 -0.797 39.745 1.00 0.00 H new ATOM 0 HD12 LEU A 23 22.952 0.494 40.826 1.00 0.00 H new ATOM 0 HD13 LEU A 23 21.793 -0.659 40.124 1.00 0.00 H new ATOM 0 HD21 LEU A 23 23.036 -0.704 37.289 1.00 0.00 H new ATOM 0 HD22 LEU A 23 21.296 -0.590 37.644 1.00 0.00 H new ATOM 0 HD23 LEU A 23 22.078 0.641 36.625 1.00 0.00 H new ATOM 373 N ASN A 24 20.040 4.650 39.024 1.00 0.00 N ATOM 374 CA ASN A 24 18.869 5.482 39.279 1.00 0.00 C ATOM 375 C ASN A 24 18.474 6.255 38.022 1.00 0.00 C ATOM 376 O ASN A 24 17.288 6.420 37.736 1.00 0.00 O ATOM 377 CB ASN A 24 19.163 6.463 40.414 1.00 0.00 C ATOM 378 CG ASN A 24 19.242 5.716 41.741 1.00 0.00 C ATOM 379 OD1 ASN A 24 18.724 4.604 41.859 1.00 0.00 O ATOM 380 ND2 ASN A 24 19.860 6.262 42.752 1.00 0.00 N ATOM 0 H ASN A 24 20.855 4.878 39.593 1.00 0.00 H new ATOM 0 HA ASN A 24 18.041 4.833 39.566 1.00 0.00 H new ATOM 0 HB2 ASN A 24 20.102 6.982 40.223 1.00 0.00 H new ATOM 0 HB3 ASN A 24 18.383 7.223 40.461 1.00 0.00 H new ATOM 0 HD21 ASN A 24 19.915 5.768 43.643 1.00 0.00 H new ATOM 0 HD22 ASN A 24 20.288 7.182 42.651 1.00 0.00 H new ATOM 387 N GLU A 25 19.472 6.727 37.282 1.00 0.00 N ATOM 388 CA GLU A 25 19.219 7.482 36.057 1.00 0.00 C ATOM 389 C GLU A 25 18.352 8.704 36.343 1.00 0.00 C ATOM 390 O GLU A 25 17.333 8.919 35.685 1.00 0.00 O ATOM 391 CB GLU A 25 18.526 6.593 35.019 1.00 0.00 C ATOM 392 CG GLU A 25 19.445 5.429 34.646 1.00 0.00 C ATOM 393 CD GLU A 25 18.763 4.539 33.611 1.00 0.00 C ATOM 394 OE1 GLU A 25 17.617 4.805 33.294 1.00 0.00 O ATOM 395 OE2 GLU A 25 19.400 3.606 33.150 1.00 0.00 O1- ATOM 0 H GLU A 25 20.459 6.602 37.506 1.00 0.00 H new ATOM 0 HA GLU A 25 20.178 7.817 35.662 1.00 0.00 H new ATOM 0 HB2 GLU A 25 17.586 6.214 35.420 1.00 0.00 H new ATOM 0 HB3 GLU A 25 18.282 7.176 34.131 1.00 0.00 H new ATOM 0 HG2 GLU A 25 20.385 5.810 34.247 1.00 0.00 H new ATOM 0 HG3 GLU A 25 19.688 4.847 35.535 1.00 0.00 H new ATOM 402 N GLU A 26 18.759 9.500 37.326 1.00 0.00 N ATOM 403 CA GLU A 26 18.007 10.697 37.686 1.00 0.00 C ATOM 404 C GLU A 26 18.043 11.713 36.548 1.00 0.00 C ATOM 405 O GLU A 26 19.046 11.838 35.847 1.00 0.00 O ATOM 406 CB GLU A 26 18.595 11.327 38.948 1.00 0.00 C ATOM 407 CG GLU A 26 18.355 10.403 40.143 1.00 0.00 C ATOM 408 CD GLU A 26 19.000 10.987 41.394 1.00 0.00 C ATOM 409 OE1 GLU A 26 19.719 11.966 41.264 1.00 0.00 O ATOM 410 OE2 GLU A 26 18.768 10.449 42.464 1.00 0.00 O1- ATOM 0 H GLU A 26 19.598 9.340 37.884 1.00 0.00 H new ATOM 0 HA GLU A 26 16.973 10.409 37.873 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.663 11.498 38.817 1.00 0.00 H new ATOM 0 HB3 GLU A 26 18.136 12.299 39.129 1.00 0.00 H new ATOM 0 HG2 GLU A 26 17.285 10.273 40.303 1.00 0.00 H new ATOM 0 HG3 GLU A 26 18.769 9.416 39.938 1.00 0.00 H new ATOM 417 N ARG A 27 16.942 12.436 36.374 1.00 0.00 N ATOM 418 CA ARG A 27 16.854 13.441 35.321 1.00 0.00 C ATOM 419 C ARG A 27 17.919 14.514 35.512 1.00 0.00 C ATOM 420 O ARG A 27 18.554 14.952 34.553 1.00 0.00 O ATOM 421 CB ARG A 27 15.466 14.086 35.331 1.00 0.00 C ATOM 422 CG ARG A 27 15.366 15.108 34.195 1.00 0.00 C ATOM 423 CD ARG A 27 13.932 15.631 34.102 1.00 0.00 C ATOM 424 NE ARG A 27 13.032 14.565 33.680 1.00 0.00 N ATOM 425 CZ ARG A 27 11.720 14.764 33.603 1.00 0.00 C ATOM 426 NH1 ARG A 27 10.934 13.794 33.223 1.00 0.00 N1+ ATOM 427 NH2 ARG A 27 11.218 15.930 33.906 1.00 0.00 N ATOM 0 H ARG A 27 16.102 12.346 36.945 1.00 0.00 H new ATOM 0 HA ARG A 27 17.020 12.951 34.362 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.698 13.321 35.215 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.288 14.574 36.289 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.054 15.934 34.373 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.658 14.648 33.251 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.616 16.021 35.070 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.884 16.458 33.394 1.00 0.00 H new ATOM 0 HE ARG A 27 13.415 13.651 33.440 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.326 12.883 32.985 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.927 13.947 33.164 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.832 16.689 34.202 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.211 16.083 33.847 1.00 0.00 H new ATOM 441 N HIS A 28 18.108 14.937 36.757 1.00 0.00 N ATOM 442 CA HIS A 28 19.096 15.964 37.065 1.00 0.00 C ATOM 443 C HIS A 28 20.500 15.484 36.709 1.00 0.00 C ATOM 444 O HIS A 28 21.318 16.252 36.203 1.00 0.00 O ATOM 445 CB HIS A 28 19.036 16.316 38.552 1.00 0.00 C ATOM 446 CG HIS A 28 17.739 17.013 38.851 1.00 0.00 C ATOM 447 ND1 HIS A 28 17.492 18.319 38.456 1.00 0.00 N ATOM 448 CD2 HIS A 28 16.606 16.599 39.508 1.00 0.00 C ATOM 449 CE1 HIS A 28 16.255 18.642 38.873 1.00 0.00 C ATOM 450 NE2 HIS A 28 15.671 17.631 39.520 1.00 0.00 N ATOM 0 H HIS A 28 17.593 14.587 37.565 1.00 0.00 H new ATOM 0 HA HIS A 28 18.868 16.850 36.472 1.00 0.00 H new ATOM 0 HB2 HIS A 28 19.122 15.412 39.154 1.00 0.00 H new ATOM 0 HB3 HIS A 28 19.876 16.958 38.819 1.00 0.00 H new ATOM 0 HD2 HIS A 28 16.462 15.623 39.948 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.791 19.602 38.705 1.00 0.00 H new ATOM 0 HE2 HIS A 28 14.739 17.617 39.935 1.00 0.00 H new ATOM 458 N ASP A 29 20.774 14.211 36.979 1.00 0.00 N ATOM 459 CA ASP A 29 22.087 13.647 36.684 1.00 0.00 C ATOM 460 C ASP A 29 22.383 13.719 35.188 1.00 0.00 C ATOM 461 O ASP A 29 23.504 14.019 34.784 1.00 0.00 O ATOM 462 CB ASP A 29 22.147 12.191 37.148 1.00 0.00 C ATOM 463 CG ASP A 29 22.183 12.129 38.672 1.00 0.00 C ATOM 464 OD1 ASP A 29 22.410 13.161 39.282 1.00 0.00 O ATOM 465 OD2 ASP A 29 21.985 11.051 39.205 1.00 0.00 O1- ATOM 0 H ASP A 29 20.112 13.557 37.397 1.00 0.00 H new ATOM 0 HA ASP A 29 22.837 14.230 37.218 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.280 11.646 36.774 1.00 0.00 H new ATOM 0 HB3 ASP A 29 23.031 11.706 36.735 1.00 0.00 H new ATOM 470 N HIS A 30 21.369 13.446 34.373 1.00 0.00 N ATOM 471 CA HIS A 30 21.540 13.490 32.924 1.00 0.00 C ATOM 472 C HIS A 30 21.865 14.907 32.466 1.00 0.00 C ATOM 473 O HIS A 30 22.692 15.107 31.576 1.00 0.00 O ATOM 474 CB HIS A 30 20.266 13.005 32.224 1.00 0.00 C ATOM 475 CG HIS A 30 20.115 11.521 32.422 1.00 0.00 C ATOM 476 ND1 HIS A 30 20.982 10.608 31.844 1.00 0.00 N ATOM 477 CD2 HIS A 30 19.199 10.776 33.124 1.00 0.00 C ATOM 478 CE1 HIS A 30 20.575 9.377 32.204 1.00 0.00 C ATOM 479 NE2 HIS A 30 19.492 9.423 32.985 1.00 0.00 N ATOM 0 H HIS A 30 20.431 13.195 34.685 1.00 0.00 H new ATOM 0 HA HIS A 30 22.368 12.833 32.659 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.397 13.526 32.626 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.313 13.237 31.160 1.00 0.00 H new ATOM 0 HD1 HIS A 30 21.783 10.829 31.253 1.00 0.00 H new ATOM 0 HD2 HIS A 30 18.377 11.179 33.697 1.00 0.00 H new ATOM 0 HE1 HIS A 30 21.064 8.464 31.899 1.00 0.00 H new ATOM 487 N ASP A 31 21.210 15.887 33.080 1.00 0.00 N ATOM 488 CA ASP A 31 21.438 17.283 32.727 1.00 0.00 C ATOM 489 C ASP A 31 22.889 17.673 32.990 1.00 0.00 C ATOM 490 O ASP A 31 23.497 18.401 32.205 1.00 0.00 O ATOM 491 CB ASP A 31 20.510 18.186 33.543 1.00 0.00 C ATOM 492 CG ASP A 31 19.072 18.033 33.055 1.00 0.00 C ATOM 493 OD1 ASP A 31 18.886 17.462 31.994 1.00 0.00 O ATOM 494 OD2 ASP A 31 18.182 18.488 33.752 1.00 0.00 O1- ATOM 0 H ASP A 31 20.522 15.742 33.819 1.00 0.00 H new ATOM 0 HA ASP A 31 21.227 17.408 31.665 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.574 17.927 34.600 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.826 19.225 33.450 1.00 0.00 H new ATOM 499 N LYS A 32 23.439 17.180 34.094 1.00 0.00 N ATOM 500 CA LYS A 32 24.825 17.481 34.443 1.00 0.00 C ATOM 501 C LYS A 32 25.774 16.929 33.386 1.00 0.00 C ATOM 502 O LYS A 32 26.760 17.574 33.025 1.00 0.00 O ATOM 503 CB LYS A 32 25.177 16.890 35.812 1.00 0.00 C ATOM 504 CG LYS A 32 24.458 17.668 36.921 1.00 0.00 C ATOM 505 CD LYS A 32 24.818 17.066 38.280 1.00 0.00 C ATOM 506 CE LYS A 32 24.109 17.847 39.389 1.00 0.00 C ATOM 507 NZ LYS A 32 24.455 17.254 40.713 1.00 0.00 N1+ ATOM 0 H LYS A 32 22.954 16.576 34.757 1.00 0.00 H new ATOM 0 HA LYS A 32 24.935 18.565 34.487 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.889 15.839 35.848 1.00 0.00 H new ATOM 0 HB3 LYS A 32 26.255 16.931 35.968 1.00 0.00 H new ATOM 0 HG2 LYS A 32 24.746 18.719 36.889 1.00 0.00 H new ATOM 0 HG3 LYS A 32 23.380 17.628 36.768 1.00 0.00 H new ATOM 0 HD2 LYS A 32 24.524 16.017 38.314 1.00 0.00 H new ATOM 0 HD3 LYS A 32 25.897 17.099 38.430 1.00 0.00 H new ATOM 0 HE2 LYS A 32 24.407 18.895 39.359 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.030 17.818 39.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.974 17.784 41.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.149 16.260 40.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 25.484 17.304 40.857 1.00 0.00 H new ATOM 521 N ARG A 33 25.470 15.735 32.890 1.00 0.00 N ATOM 522 CA ARG A 33 26.304 15.108 31.867 1.00 0.00 C ATOM 523 C ARG A 33 26.300 15.944 30.592 1.00 0.00 C ATOM 524 O ARG A 33 27.327 16.094 29.933 1.00 0.00 O ATOM 525 CB ARG A 33 25.796 13.692 31.558 1.00 0.00 C ATOM 526 CG ARG A 33 26.080 12.737 32.733 1.00 0.00 C ATOM 527 CD ARG A 33 27.514 12.193 32.647 1.00 0.00 C ATOM 528 NE ARG A 33 27.762 11.259 33.739 1.00 0.00 N ATOM 529 CZ ARG A 33 28.930 10.635 33.858 1.00 0.00 C ATOM 530 NH1 ARG A 33 29.128 9.805 34.844 1.00 0.00 N1+ ATOM 531 NH2 ARG A 33 29.878 10.854 32.989 1.00 0.00 N ATOM 0 H ARG A 33 24.660 15.184 33.175 1.00 0.00 H new ATOM 0 HA ARG A 33 27.324 15.046 32.247 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.725 13.721 31.359 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.278 13.317 30.655 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.939 13.261 33.678 1.00 0.00 H new ATOM 0 HG3 ARG A 33 25.369 11.911 32.718 1.00 0.00 H new ATOM 0 HD2 ARG A 33 27.665 11.694 31.690 1.00 0.00 H new ATOM 0 HD3 ARG A 33 28.227 13.016 32.693 1.00 0.00 H new ATOM 0 HE ARG A 33 27.027 11.081 34.423 1.00 0.00 H new ATOM 0 HH11 ARG A 33 28.387 9.635 35.524 1.00 0.00 H new ATOM 0 HH12 ARG A 33 30.024 9.326 34.935 1.00 0.00 H new ATOM 0 HH21 ARG A 33 29.723 11.504 32.218 1.00 0.00 H new ATOM 0 HH22 ARG A 33 30.774 10.375 33.080 1.00 0.00 H new ATOM 545 N GLU A 34 25.135 16.486 30.249 1.00 0.00 N ATOM 546 CA GLU A 34 25.008 17.303 29.049 1.00 0.00 C ATOM 547 C GLU A 34 25.900 18.538 29.151 1.00 0.00 C ATOM 548 O GLU A 34 26.562 18.919 28.186 1.00 0.00 O ATOM 549 CB GLU A 34 23.550 17.732 28.861 1.00 0.00 C ATOM 550 CG GLU A 34 23.408 18.539 27.566 1.00 0.00 C ATOM 551 CD GLU A 34 21.946 18.904 27.340 1.00 0.00 C ATOM 552 OE1 GLU A 34 21.127 18.531 28.164 1.00 0.00 O ATOM 553 OE2 GLU A 34 21.665 19.551 26.344 1.00 0.00 O1- ATOM 0 H GLU A 34 24.272 16.375 30.781 1.00 0.00 H new ATOM 0 HA GLU A 34 25.322 16.711 28.189 1.00 0.00 H new ATOM 0 HB2 GLU A 34 22.905 16.854 28.826 1.00 0.00 H new ATOM 0 HB3 GLU A 34 23.226 18.332 29.711 1.00 0.00 H new ATOM 0 HG2 GLU A 34 24.013 19.444 27.623 1.00 0.00 H new ATOM 0 HG3 GLU A 34 23.781 17.958 26.723 1.00 0.00 H new ATOM 560 N ALA A 35 25.912 19.157 30.327 1.00 0.00 N ATOM 561 CA ALA A 35 26.727 20.347 30.544 1.00 0.00 C ATOM 562 C ALA A 35 28.205 20.028 30.347 1.00 0.00 C ATOM 563 O ALA A 35 28.950 20.821 29.773 1.00 0.00 O ATOM 564 CB ALA A 35 26.501 20.883 31.959 1.00 0.00 C ATOM 0 H ALA A 35 25.371 18.858 31.138 1.00 0.00 H new ATOM 0 HA ALA A 35 26.432 21.104 29.818 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.113 21.772 32.114 1.00 0.00 H new ATOM 0 HB2 ALA A 35 25.449 21.140 32.087 1.00 0.00 H new ATOM 0 HB3 ALA A 35 26.779 20.120 32.686 1.00 0.00 H new ATOM 570 N GLU A 36 28.622 18.862 30.828 1.00 0.00 N ATOM 571 CA GLU A 36 30.014 18.448 30.700 1.00 0.00 C ATOM 572 C GLU A 36 30.396 18.298 29.230 1.00 0.00 C ATOM 573 O GLU A 36 31.498 18.666 28.825 1.00 0.00 O ATOM 574 CB GLU A 36 30.232 17.118 31.423 1.00 0.00 C ATOM 575 CG GLU A 36 30.137 17.336 32.935 1.00 0.00 C ATOM 576 CD GLU A 36 30.179 15.995 33.659 1.00 0.00 C ATOM 577 OE1 GLU A 36 30.051 14.980 32.993 1.00 0.00 O ATOM 578 OE2 GLU A 36 30.340 16.001 34.869 1.00 0.00 O1- ATOM 0 H GLU A 36 28.021 18.191 31.307 1.00 0.00 H new ATOM 0 HA GLU A 36 30.644 19.215 31.151 1.00 0.00 H new ATOM 0 HB2 GLU A 36 29.486 16.391 31.102 1.00 0.00 H new ATOM 0 HB3 GLU A 36 31.208 16.708 31.165 1.00 0.00 H new ATOM 0 HG2 GLU A 36 30.960 17.967 33.272 1.00 0.00 H new ATOM 0 HG3 GLU A 36 29.213 17.861 33.178 1.00 0.00 H new ATOM 585 N ARG A 37 29.478 17.755 28.438 1.00 0.00 N ATOM 586 CA ARG A 37 29.730 17.560 27.015 1.00 0.00 C ATOM 587 C ARG A 37 29.993 18.900 26.333 1.00 0.00 C ATOM 588 O ARG A 37 30.915 19.027 25.527 1.00 0.00 O ATOM 589 CB ARG A 37 28.527 16.874 26.361 1.00 0.00 C ATOM 590 CG ARG A 37 28.837 16.571 24.892 1.00 0.00 C ATOM 591 CD ARG A 37 27.626 15.892 24.246 1.00 0.00 C ATOM 592 NE ARG A 37 27.360 14.614 24.894 1.00 0.00 N ATOM 593 CZ ARG A 37 28.031 13.516 24.554 1.00 0.00 C ATOM 594 NH1 ARG A 37 27.773 12.383 25.149 1.00 0.00 N1+ ATOM 595 NH2 ARG A 37 28.946 13.573 23.626 1.00 0.00 N ATOM 0 H ARG A 37 28.559 17.444 28.754 1.00 0.00 H new ATOM 0 HA ARG A 37 30.611 16.928 26.901 1.00 0.00 H new ATOM 0 HB2 ARG A 37 28.291 15.951 26.890 1.00 0.00 H new ATOM 0 HB3 ARG A 37 27.648 17.515 26.432 1.00 0.00 H new ATOM 0 HG2 ARG A 37 29.077 17.493 24.362 1.00 0.00 H new ATOM 0 HG3 ARG A 37 29.712 15.925 24.819 1.00 0.00 H new ATOM 0 HD2 ARG A 37 26.752 16.538 24.327 1.00 0.00 H new ATOM 0 HD3 ARG A 37 27.811 15.737 23.183 1.00 0.00 H new ATOM 0 HE ARG A 37 26.647 14.560 25.621 1.00 0.00 H new ATOM 0 HH11 ARG A 37 27.057 12.339 25.874 1.00 0.00 H new ATOM 0 HH12 ARG A 37 28.287 11.541 24.888 1.00 0.00 H new ATOM 0 HH21 ARG A 37 29.147 14.459 23.162 1.00 0.00 H new ATOM 0 HH22 ARG A 37 29.461 12.732 23.365 1.00 0.00 H new ATOM 609 N LYS A 38 29.178 19.898 26.663 1.00 0.00 N ATOM 610 CA LYS A 38 29.333 21.223 26.076 1.00 0.00 C ATOM 611 C LYS A 38 30.688 21.818 26.451 1.00 0.00 C ATOM 612 O LYS A 38 31.344 22.459 25.630 1.00 0.00 O ATOM 613 CB LYS A 38 28.214 22.147 26.564 1.00 0.00 C ATOM 614 CG LYS A 38 26.882 21.714 25.937 1.00 0.00 C ATOM 615 CD LYS A 38 25.787 22.748 26.237 1.00 0.00 C ATOM 616 CE LYS A 38 25.376 22.681 27.712 1.00 0.00 C ATOM 617 NZ LYS A 38 24.195 23.562 27.934 1.00 0.00 N1+ ATOM 0 H LYS A 38 28.410 19.815 27.329 1.00 0.00 H new ATOM 0 HA LYS A 38 29.277 21.129 24.992 1.00 0.00 H new ATOM 0 HB2 LYS A 38 28.145 22.110 27.651 1.00 0.00 H new ATOM 0 HB3 LYS A 38 28.437 23.179 26.294 1.00 0.00 H new ATOM 0 HG2 LYS A 38 27.000 21.602 24.859 1.00 0.00 H new ATOM 0 HG3 LYS A 38 26.588 20.740 26.328 1.00 0.00 H new ATOM 0 HD2 LYS A 38 26.148 23.749 25.999 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.920 22.563 25.603 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.135 21.654 27.988 1.00 0.00 H new ATOM 0 HE3 LYS A 38 26.204 22.996 28.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.913 23.519 28.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.441 24.541 27.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 23.406 23.241 27.338 1.00 0.00 H new ATOM 631 N ALA A 39 31.099 21.601 27.697 1.00 0.00 N ATOM 632 CA ALA A 39 32.377 22.121 28.170 1.00 0.00 C ATOM 633 C ALA A 39 33.527 21.536 27.356 1.00 0.00 C ATOM 634 O ALA A 39 34.482 22.237 27.019 1.00 0.00 O ATOM 635 CB ALA A 39 32.566 21.776 29.648 1.00 0.00 C ATOM 0 H ALA A 39 30.571 21.073 28.392 1.00 0.00 H new ATOM 0 HA ALA A 39 32.376 23.204 28.048 1.00 0.00 H new ATOM 0 HB1 ALA A 39 33.523 22.168 29.994 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.760 22.221 30.231 1.00 0.00 H new ATOM 0 HB3 ALA A 39 32.551 20.693 29.774 1.00 0.00 H new ATOM 641 N LEU A 40 33.429 20.249 27.043 1.00 0.00 N ATOM 642 CA LEU A 40 34.467 19.579 26.267 1.00 0.00 C ATOM 643 C LEU A 40 34.599 20.227 24.893 1.00 0.00 C ATOM 644 O LEU A 40 35.706 20.478 24.417 1.00 0.00 O ATOM 645 CB LEU A 40 34.125 18.091 26.120 1.00 0.00 C ATOM 646 CG LEU A 40 35.199 17.365 25.294 1.00 0.00 C ATOM 647 CD1 LEU A 40 36.569 17.478 25.986 1.00 0.00 C ATOM 648 CD2 LEU A 40 34.810 15.888 25.164 1.00 0.00 C ATOM 0 H LEU A 40 32.647 19.652 27.312 1.00 0.00 H new ATOM 0 HA LEU A 40 35.419 19.675 26.789 1.00 0.00 H new ATOM 0 HB2 LEU A 40 34.045 17.632 27.105 1.00 0.00 H new ATOM 0 HB3 LEU A 40 33.153 17.982 25.638 1.00 0.00 H new ATOM 0 HG LEU A 40 35.267 17.822 24.307 1.00 0.00 H new ATOM 0 HD11 LEU A 40 37.321 16.960 25.391 1.00 0.00 H new ATOM 0 HD12 LEU A 40 36.843 18.529 26.082 1.00 0.00 H new ATOM 0 HD13 LEU A 40 36.515 17.026 26.976 1.00 0.00 H new ATOM 0 HD21 LEU A 40 35.565 15.363 24.579 1.00 0.00 H new ATOM 0 HD22 LEU A 40 34.743 15.441 26.156 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.845 15.809 24.664 1.00 0.00 H new ATOM 660 N GLU A 41 33.460 20.494 24.259 1.00 0.00 N ATOM 661 CA GLU A 41 33.459 21.113 22.939 1.00 0.00 C ATOM 662 C GLU A 41 34.077 22.507 23.003 1.00 0.00 C ATOM 663 O GLU A 41 34.810 22.912 22.100 1.00 0.00 O ATOM 664 CB GLU A 41 32.029 21.207 22.406 1.00 0.00 C ATOM 665 CG GLU A 41 31.488 19.802 22.134 1.00 0.00 C ATOM 666 CD GLU A 41 32.220 19.182 20.948 1.00 0.00 C ATOM 667 OE1 GLU A 41 32.841 19.924 20.206 1.00 0.00 O ATOM 668 OE2 GLU A 41 32.147 17.973 20.800 1.00 0.00 O1- ATOM 0 H GLU A 41 32.534 20.293 24.635 1.00 0.00 H new ATOM 0 HA GLU A 41 34.054 20.495 22.267 1.00 0.00 H new ATOM 0 HB2 GLU A 41 31.394 21.718 23.129 1.00 0.00 H new ATOM 0 HB3 GLU A 41 32.010 21.798 21.491 1.00 0.00 H new ATOM 0 HG2 GLU A 41 31.615 19.177 23.018 1.00 0.00 H new ATOM 0 HG3 GLU A 41 30.419 19.849 21.928 1.00 0.00 H new ATOM 675 N ASP A 42 33.778 23.234 24.074 1.00 0.00 N ATOM 676 CA ASP A 42 34.312 24.579 24.246 1.00 0.00 C ATOM 677 C ASP A 42 33.919 25.476 23.070 1.00 0.00 C ATOM 678 O ASP A 42 34.750 26.212 22.539 1.00 0.00 O ATOM 679 CB ASP A 42 35.838 24.518 24.346 1.00 0.00 C ATOM 680 CG ASP A 42 36.380 25.853 24.842 1.00 0.00 C ATOM 681 OD1 ASP A 42 35.595 26.780 24.960 1.00 0.00 O ATOM 682 OD2 ASP A 42 37.570 25.929 25.096 1.00 0.00 O1- ATOM 0 H ASP A 42 33.173 22.917 24.831 1.00 0.00 H new ATOM 0 HA ASP A 42 33.895 24.999 25.161 1.00 0.00 H new ATOM 0 HB2 ASP A 42 36.135 23.720 25.027 1.00 0.00 H new ATOM 0 HB3 ASP A 42 36.266 24.282 23.372 1.00 0.00 H new ATOM 687 N LYS A 43 32.649 25.413 22.662 1.00 0.00 N ATOM 688 CA LYS A 43 32.176 26.231 21.548 1.00 0.00 C ATOM 689 C LYS A 43 32.309 27.715 21.875 1.00 0.00 C ATOM 690 O LYS A 43 32.658 28.522 21.012 1.00 0.00 O ATOM 691 CB LYS A 43 30.709 25.913 21.230 1.00 0.00 C ATOM 692 CG LYS A 43 30.599 24.525 20.577 1.00 0.00 C ATOM 693 CD LYS A 43 29.184 24.302 20.020 1.00 0.00 C ATOM 694 CE LYS A 43 28.177 24.106 21.161 1.00 0.00 C ATOM 695 NZ LYS A 43 28.600 22.951 22.003 1.00 0.00 N1+ ATOM 0 H LYS A 43 31.940 24.812 23.081 1.00 0.00 H new ATOM 0 HA LYS A 43 32.791 25.999 20.679 1.00 0.00 H new ATOM 0 HB2 LYS A 43 30.116 25.941 22.144 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.301 26.671 20.562 1.00 0.00 H new ATOM 0 HG2 LYS A 43 31.330 24.436 19.774 1.00 0.00 H new ATOM 0 HG3 LYS A 43 30.834 23.753 21.309 1.00 0.00 H new ATOM 0 HD2 LYS A 43 28.889 25.156 19.410 1.00 0.00 H new ATOM 0 HD3 LYS A 43 29.178 23.428 19.369 1.00 0.00 H new ATOM 0 HE2 LYS A 43 28.118 25.010 21.768 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.181 23.929 20.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 27.770 22.549 22.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 29.037 22.224 21.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 29.288 23.273 22.713 1.00 0.00 H new ATOM 709 N LEU A 44 32.022 28.071 23.123 1.00 0.00 N ATOM 710 CA LEU A 44 32.106 29.465 23.547 1.00 0.00 C ATOM 711 C LEU A 44 33.535 29.984 23.410 1.00 0.00 C ATOM 712 O LEU A 44 33.753 31.125 23.002 1.00 0.00 O ATOM 713 CB LEU A 44 31.657 29.595 25.006 1.00 0.00 C ATOM 714 CG LEU A 44 30.149 29.325 25.125 1.00 0.00 C ATOM 715 CD1 LEU A 44 29.774 29.236 26.608 1.00 0.00 C ATOM 716 CD2 LEU A 44 29.340 30.454 24.451 1.00 0.00 C ATOM 0 H LEU A 44 31.732 27.421 23.853 1.00 0.00 H new ATOM 0 HA LEU A 44 31.452 30.058 22.908 1.00 0.00 H new ATOM 0 HB2 LEU A 44 32.210 28.891 25.628 1.00 0.00 H new ATOM 0 HB3 LEU A 44 31.885 30.595 25.376 1.00 0.00 H new ATOM 0 HG LEU A 44 29.914 28.386 24.623 1.00 0.00 H new ATOM 0 HD11 LEU A 44 28.705 29.044 26.702 1.00 0.00 H new ATOM 0 HD12 LEU A 44 30.331 28.424 27.076 1.00 0.00 H new ATOM 0 HD13 LEU A 44 30.019 30.176 27.102 1.00 0.00 H new ATOM 0 HD21 LEU A 44 28.275 30.245 24.546 1.00 0.00 H new ATOM 0 HD22 LEU A 44 29.568 31.404 24.935 1.00 0.00 H new ATOM 0 HD23 LEU A 44 29.606 30.512 23.395 1.00 0.00 H new ATOM 728 N ALA A 45 34.505 29.141 23.750 1.00 0.00 N ATOM 729 CA ALA A 45 35.907 29.533 23.657 1.00 0.00 C ATOM 730 C ALA A 45 36.166 30.797 24.472 1.00 0.00 C ATOM 731 O ALA A 45 37.047 31.591 24.138 1.00 0.00 O ATOM 732 CB ALA A 45 36.282 29.782 22.196 1.00 0.00 C ATOM 0 H ALA A 45 34.349 28.192 24.089 1.00 0.00 H new ATOM 0 HA ALA A 45 36.518 28.724 24.058 1.00 0.00 H new ATOM 0 HB1 ALA A 45 37.330 30.074 22.134 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.125 28.870 21.620 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.659 30.579 21.791 1.00 0.00 H new ATOM 738 N ASP A 46 35.397 30.979 25.541 1.00 0.00 N ATOM 739 CA ASP A 46 35.556 32.150 26.394 1.00 0.00 C ATOM 740 C ASP A 46 36.949 32.177 27.012 1.00 0.00 C ATOM 741 O ASP A 46 37.570 33.234 27.124 1.00 0.00 O ATOM 742 CB ASP A 46 34.502 32.137 27.502 1.00 0.00 C ATOM 743 CG ASP A 46 33.124 32.434 26.918 1.00 0.00 C ATOM 744 OD1 ASP A 46 33.067 32.871 25.782 1.00 0.00 O ATOM 745 OD2 ASP A 46 32.148 32.219 27.617 1.00 0.00 O1- ATOM 0 H ASP A 46 34.663 30.335 25.835 1.00 0.00 H new ATOM 0 HA ASP A 46 35.426 33.043 25.782 1.00 0.00 H new ATOM 0 HB2 ASP A 46 34.494 31.165 27.996 1.00 0.00 H new ATOM 0 HB3 ASP A 46 34.752 32.879 28.261 1.00 0.00 H new ATOM 750 N LYS A 47 37.435 31.007 27.412 1.00 0.00 N ATOM 751 CA LYS A 47 38.757 30.908 28.018 1.00 0.00 C ATOM 752 C LYS A 47 39.845 31.124 26.970 1.00 0.00 C ATOM 753 O LYS A 47 39.700 30.716 25.818 1.00 0.00 O ATOM 754 CB LYS A 47 38.935 29.532 28.663 1.00 0.00 C ATOM 755 CG LYS A 47 37.981 29.398 29.852 1.00 0.00 C ATOM 756 CD LYS A 47 38.161 28.024 30.500 1.00 0.00 C ATOM 757 CE LYS A 47 37.238 27.906 31.714 1.00 0.00 C ATOM 758 NZ LYS A 47 35.819 28.000 31.269 1.00 0.00 N1+ ATOM 0 H LYS A 47 36.938 30.120 27.328 1.00 0.00 H new ATOM 0 HA LYS A 47 38.844 31.681 28.781 1.00 0.00 H new ATOM 0 HB2 LYS A 47 38.735 28.748 27.933 1.00 0.00 H new ATOM 0 HB3 LYS A 47 39.966 29.404 28.994 1.00 0.00 H new ATOM 0 HG2 LYS A 47 38.179 30.184 30.581 1.00 0.00 H new ATOM 0 HG3 LYS A 47 36.950 29.523 29.520 1.00 0.00 H new ATOM 0 HD2 LYS A 47 37.934 27.238 29.780 1.00 0.00 H new ATOM 0 HD3 LYS A 47 39.199 27.887 30.804 1.00 0.00 H new ATOM 0 HE2 LYS A 47 37.409 26.958 32.223 1.00 0.00 H new ATOM 0 HE3 LYS A 47 37.459 28.697 32.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 35.199 27.593 31.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 35.568 28.998 31.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 35.699 27.475 30.380 1.00 0.00 H new ATOM 772 N GLN A 48 40.935 31.769 27.377 1.00 0.00 N ATOM 773 CA GLN A 48 42.045 32.036 26.467 1.00 0.00 C ATOM 774 C GLN A 48 43.353 32.171 27.240 1.00 0.00 C ATOM 775 O GLN A 48 43.350 32.442 28.442 1.00 0.00 O ATOM 776 CB GLN A 48 41.775 33.321 25.679 1.00 0.00 C ATOM 777 CG GLN A 48 41.650 34.502 26.645 1.00 0.00 C ATOM 778 CD GLN A 48 41.277 35.765 25.876 1.00 0.00 C ATOM 779 OE1 GLN A 48 42.000 36.175 24.967 1.00 0.00 O ATOM 780 NE2 GLN A 48 40.187 36.410 26.188 1.00 0.00 N ATOM 0 H GLN A 48 41.073 32.115 28.326 1.00 0.00 H new ATOM 0 HA GLN A 48 42.134 31.199 25.775 1.00 0.00 H new ATOM 0 HB2 GLN A 48 42.584 33.502 24.971 1.00 0.00 H new ATOM 0 HB3 GLN A 48 40.859 33.216 25.097 1.00 0.00 H new ATOM 0 HG2 GLN A 48 40.892 34.288 27.399 1.00 0.00 H new ATOM 0 HG3 GLN A 48 42.592 34.652 27.173 1.00 0.00 H new ATOM 0 HE21 GLN A 48 39.590 36.068 26.941 1.00 0.00 H new ATOM 0 HE22 GLN A 48 39.932 37.256 25.679 1.00 0.00 H new ATOM 789 N GLU A 49 44.469 31.980 26.543 1.00 0.00 N ATOM 790 CA GLU A 49 45.780 32.083 27.177 1.00 0.00 C ATOM 791 C GLU A 49 45.858 31.172 28.396 1.00 0.00 C ATOM 792 O GLU A 49 46.411 31.550 29.431 1.00 0.00 O ATOM 793 CB GLU A 49 46.042 33.530 27.598 1.00 0.00 C ATOM 794 CG GLU A 49 45.969 34.442 26.372 1.00 0.00 C ATOM 795 CD GLU A 49 47.104 34.112 25.409 1.00 0.00 C ATOM 796 OE1 GLU A 49 48.073 33.516 25.849 1.00 0.00 O ATOM 797 OE2 GLU A 49 46.986 34.460 24.246 1.00 0.00 O1- ATOM 0 H GLU A 49 44.493 31.755 25.548 1.00 0.00 H new ATOM 0 HA GLU A 49 46.538 31.772 26.458 1.00 0.00 H new ATOM 0 HB2 GLU A 49 45.307 33.842 28.340 1.00 0.00 H new ATOM 0 HB3 GLU A 49 47.023 33.611 28.066 1.00 0.00 H new ATOM 0 HG2 GLU A 49 45.009 34.317 25.872 1.00 0.00 H new ATOM 0 HG3 GLU A 49 46.034 35.485 26.680 1.00 0.00 H new ATOM 804 N HIS A 50 45.303 29.972 28.271 1.00 0.00 N ATOM 805 CA HIS A 50 45.317 29.014 29.371 1.00 0.00 C ATOM 806 C HIS A 50 46.724 28.469 29.592 1.00 0.00 C ATOM 807 O HIS A 50 47.506 28.343 28.650 1.00 0.00 O ATOM 808 CB HIS A 50 44.365 27.861 29.061 1.00 0.00 C ATOM 809 CG HIS A 50 44.795 27.189 27.786 1.00 0.00 C ATOM 810 ND1 HIS A 50 45.816 26.253 27.751 1.00 0.00 N ATOM 811 CD2 HIS A 50 44.351 27.307 26.492 1.00 0.00 C ATOM 812 CE1 HIS A 50 45.953 25.847 26.475 1.00 0.00 C ATOM 813 NE2 HIS A 50 45.083 26.460 25.666 1.00 0.00 N ATOM 0 H HIS A 50 44.840 29.640 27.425 1.00 0.00 H new ATOM 0 HA HIS A 50 44.993 29.523 30.279 1.00 0.00 H new ATOM 0 HB2 HIS A 50 44.365 27.144 29.882 1.00 0.00 H new ATOM 0 HB3 HIS A 50 43.345 28.233 28.963 1.00 0.00 H new ATOM 0 HD2 HIS A 50 43.554 27.959 26.165 1.00 0.00 H new ATOM 0 HE1 HIS A 50 46.677 25.116 26.145 1.00 0.00 H new ATOM 0 HE2 HIS A 50 44.978 26.334 24.659 1.00 0.00 H new ATOM 821 N LEU A 51 47.038 28.142 30.842 1.00 0.00 N ATOM 822 CA LEU A 51 48.355 27.606 31.171 1.00 0.00 C ATOM 823 C LEU A 51 48.561 26.249 30.502 1.00 0.00 C ATOM 824 O LEU A 51 49.638 25.958 29.985 1.00 0.00 O ATOM 825 CB LEU A 51 48.504 27.456 32.691 1.00 0.00 C ATOM 826 CG LEU A 51 48.701 28.830 33.361 1.00 0.00 C ATOM 827 CD1 LEU A 51 50.049 29.452 32.947 1.00 0.00 C ATOM 828 CD2 LEU A 51 47.553 29.771 32.970 1.00 0.00 C ATOM 0 H LEU A 51 46.406 28.237 31.637 1.00 0.00 H new ATOM 0 HA LEU A 51 49.109 28.302 30.803 1.00 0.00 H new ATOM 0 HB2 LEU A 51 47.619 26.970 33.101 1.00 0.00 H new ATOM 0 HB3 LEU A 51 49.354 26.812 32.916 1.00 0.00 H new ATOM 0 HG LEU A 51 48.702 28.689 34.442 1.00 0.00 H new ATOM 0 HD11 LEU A 51 50.167 30.421 33.432 1.00 0.00 H new ATOM 0 HD12 LEU A 51 50.862 28.793 33.251 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.073 29.582 31.865 1.00 0.00 H new ATOM 0 HD21 LEU A 51 47.699 30.740 33.447 1.00 0.00 H new ATOM 0 HD22 LEU A 51 47.539 29.898 31.887 1.00 0.00 H new ATOM 0 HD23 LEU A 51 46.605 29.344 33.298 1.00 0.00 H new ATOM 840 N ASP A 52 47.516 25.421 30.518 1.00 0.00 N ATOM 841 CA ASP A 52 47.589 24.093 29.910 1.00 0.00 C ATOM 842 C ASP A 52 46.216 23.652 29.411 1.00 0.00 C ATOM 843 O ASP A 52 46.036 22.512 28.985 1.00 0.00 O ATOM 844 CB ASP A 52 48.112 23.082 30.933 1.00 0.00 C ATOM 845 CG ASP A 52 47.124 22.949 32.087 1.00 0.00 C ATOM 846 OD1 ASP A 52 46.087 23.589 32.031 1.00 0.00 O ATOM 847 OD2 ASP A 52 47.418 22.208 33.011 1.00 0.00 O1- ATOM 0 H ASP A 52 46.616 25.644 30.942 1.00 0.00 H new ATOM 0 HA ASP A 52 48.271 24.140 29.061 1.00 0.00 H new ATOM 0 HB2 ASP A 52 48.259 22.113 30.456 1.00 0.00 H new ATOM 0 HB3 ASP A 52 49.083 23.403 31.310 1.00 0.00 H new ATOM 852 N GLY A 53 45.250 24.565 29.466 1.00 0.00 N ATOM 853 CA GLY A 53 43.893 24.264 29.017 1.00 0.00 C ATOM 854 C GLY A 53 43.080 23.607 30.133 1.00 0.00 C ATOM 855 O GLY A 53 43.622 23.267 31.184 1.00 0.00 O ATOM 0 H GLY A 53 45.380 25.515 29.815 1.00 0.00 H new ATOM 0 HA2 GLY A 53 43.401 25.182 28.695 1.00 0.00 H new ATOM 0 HA3 GLY A 53 43.931 23.602 28.152 1.00 0.00 H new ATOM 859 N ALA A 54 41.780 23.429 29.901 1.00 0.00 N ATOM 860 CA ALA A 54 40.913 22.811 30.899 1.00 0.00 C ATOM 861 C ALA A 54 41.356 21.380 31.189 1.00 0.00 C ATOM 862 O ALA A 54 41.344 20.939 32.339 1.00 0.00 O ATOM 863 CB ALA A 54 39.467 22.807 30.403 1.00 0.00 C ATOM 0 H ALA A 54 41.309 23.702 29.038 1.00 0.00 H new ATOM 0 HA ALA A 54 40.982 23.392 31.819 1.00 0.00 H new ATOM 0 HB1 ALA A 54 38.826 22.344 31.153 1.00 0.00 H new ATOM 0 HB2 ALA A 54 39.139 23.832 30.228 1.00 0.00 H new ATOM 0 HB3 ALA A 54 39.403 22.242 29.473 1.00 0.00 H new ATOM 869 N LEU A 55 41.744 20.661 30.142 1.00 0.00 N ATOM 870 CA LEU A 55 42.182 19.279 30.295 1.00 0.00 C ATOM 871 C LEU A 55 41.202 18.506 31.179 1.00 0.00 C ATOM 872 O LEU A 55 40.020 18.396 30.856 1.00 0.00 O ATOM 873 CB LEU A 55 43.583 19.240 30.917 1.00 0.00 C ATOM 874 CG LEU A 55 44.555 20.075 30.074 1.00 0.00 C ATOM 875 CD1 LEU A 55 45.937 20.051 30.733 1.00 0.00 C ATOM 876 CD2 LEU A 55 44.650 19.498 28.650 1.00 0.00 C ATOM 0 H LEU A 55 41.764 21.009 29.184 1.00 0.00 H new ATOM 0 HA LEU A 55 42.213 18.812 29.311 1.00 0.00 H new ATOM 0 HB2 LEU A 55 43.548 19.626 31.936 1.00 0.00 H new ATOM 0 HB3 LEU A 55 43.934 18.210 30.978 1.00 0.00 H new ATOM 0 HG LEU A 55 44.192 21.101 30.014 1.00 0.00 H new ATOM 0 HD11 LEU A 55 46.634 20.643 30.139 1.00 0.00 H new ATOM 0 HD12 LEU A 55 45.869 20.470 31.737 1.00 0.00 H new ATOM 0 HD13 LEU A 55 46.294 19.023 30.793 1.00 0.00 H new ATOM 0 HD21 LEU A 55 45.343 20.098 28.060 1.00 0.00 H new ATOM 0 HD22 LEU A 55 45.010 18.470 28.697 1.00 0.00 H new ATOM 0 HD23 LEU A 55 43.665 19.517 28.183 1.00 0.00 H new ATOM 888 N ARG A 56 41.700 17.972 32.291 1.00 0.00 N ATOM 889 CA ARG A 56 40.854 17.214 33.206 1.00 0.00 C ATOM 890 C ARG A 56 39.891 18.144 33.939 1.00 0.00 C ATOM 891 O ARG A 56 40.238 19.277 34.269 1.00 0.00 O ATOM 892 CB ARG A 56 41.720 16.469 34.223 1.00 0.00 C ATOM 893 CG ARG A 56 42.577 15.429 33.499 1.00 0.00 C ATOM 894 CD ARG A 56 43.592 14.833 34.476 1.00 0.00 C ATOM 895 NE ARG A 56 44.543 15.856 34.899 1.00 0.00 N ATOM 896 CZ ARG A 56 45.478 15.591 35.806 1.00 0.00 C ATOM 897 NH1 ARG A 56 46.317 16.522 36.168 1.00 0.00 N1+ ATOM 898 NH2 ARG A 56 45.557 14.401 36.335 1.00 0.00 N ATOM 0 H ARG A 56 42.676 18.049 32.578 1.00 0.00 H new ATOM 0 HA ARG A 56 40.276 16.495 32.626 1.00 0.00 H new ATOM 0 HB2 ARG A 56 42.358 17.173 34.758 1.00 0.00 H new ATOM 0 HB3 ARG A 56 41.089 15.982 34.966 1.00 0.00 H new ATOM 0 HG2 ARG A 56 41.944 14.641 33.091 1.00 0.00 H new ATOM 0 HG3 ARG A 56 43.094 15.891 32.658 1.00 0.00 H new ATOM 0 HD2 ARG A 56 43.075 14.425 35.345 1.00 0.00 H new ATOM 0 HD3 ARG A 56 44.122 14.007 34.002 1.00 0.00 H new ATOM 0 HE ARG A 56 44.489 16.790 34.492 1.00 0.00 H new ATOM 0 HH11 ARG A 56 46.255 17.453 35.755 1.00 0.00 H new ATOM 0 HH12 ARG A 56 47.035 16.319 36.864 1.00 0.00 H new ATOM 0 HH21 ARG A 56 44.901 13.673 36.053 1.00 0.00 H new ATOM 0 HH22 ARG A 56 46.275 14.199 37.031 1.00 0.00 H new ATOM 912 N TYR A 57 38.681 17.655 34.190 1.00 0.00 N ATOM 913 CA TYR A 57 37.676 18.452 34.885 1.00 0.00 C ATOM 914 C TYR A 57 36.473 17.588 35.253 1.00 0.00 C ATOM 915 O TYR A 57 36.113 17.575 36.419 1.00 0.00 O ATOM 916 CB TYR A 57 37.225 19.613 33.995 1.00 0.00 C ATOM 917 CG TYR A 57 36.115 20.376 34.679 1.00 0.00 C ATOM 918 CD1 TYR A 57 36.415 21.277 35.708 1.00 0.00 C ATOM 919 CD2 TYR A 57 34.783 20.181 34.287 1.00 0.00 C ATOM 920 CE1 TYR A 57 35.387 21.985 36.343 1.00 0.00 C ATOM 921 CE2 TYR A 57 33.755 20.888 34.924 1.00 0.00 C ATOM 922 CZ TYR A 57 34.058 21.790 35.951 1.00 0.00 C ATOM 923 OH TYR A 57 33.044 22.487 36.578 1.00 0.00 O ATOM 924 OXT TYR A 57 35.930 16.954 34.363 1.00 0.00 O ATOM 0 H TYR A 57 38.374 16.719 33.925 1.00 0.00 H new ATOM 0 HA TYR A 57 38.117 18.848 35.799 1.00 0.00 H new ATOM 0 HB2 TYR A 57 38.065 20.277 33.793 1.00 0.00 H new ATOM 0 HB3 TYR A 57 36.880 19.234 33.033 1.00 0.00 H new ATOM 0 HD1 TYR A 57 37.440 21.426 36.012 1.00 0.00 H new ATOM 0 HD2 TYR A 57 34.550 19.486 33.494 1.00 0.00 H new ATOM 0 HE1 TYR A 57 35.620 22.681 37.135 1.00 0.00 H new ATOM 0 HE2 TYR A 57 32.729 20.737 34.623 1.00 0.00 H new ATOM 0 HH TYR A 57 32.182 22.235 36.185 1.00 0.00 H new TER 934 TYR A 57